(3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C20H21F2NO7 — CID 175912034

IUPAC(3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](OC(F)F)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C20H21F2NO7/c1-26-13-6-5-10(7-12(13)24)16-18(30-20(21)22)19(25)23(16)11-8-14(27-2)17(29-4)15(9-11)28-3/h5-9,16,18,20,24H,1-4H3/t16-,18-/m1/s1
InChIKeyKUFAXPWHAIEEJH-SJLPKXTDSA-N
MW425.38 g/mol
LogP3.12
Rot. Bonds8

About (3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

(3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 175912034) has the molecular formula C20H21F2NO7 and a molecular weight of 425.38 g/mol. Its IUPAC name is (3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID175912034
Molecular FormulaC20H21F2NO7
Molecular Weight425.38 g/mol
Exact Mass425.13
IUPAC Name(3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](OC(F)F)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C20H21F2NO7/c1-26-13-6-5-10(7-12(13)24)16-18(30-20(21)22)19(25)23(16)11-8-14(27-2)17(29-4)15(9-11)28-3/h5-9,16,18,20,24H,1-4H3/t16-,18-/m1/s1
InChIKeyKUFAXPWHAIEEJH-SJLPKXTDSA-N
XLogP3.12
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974440
(3S,4R)-3-(chloromethyl)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 162667268
N-[(2S,3S)-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]methanesulfonamide
CID 131974453
(3S,4R)-4-(3,4-dihydroxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127025179
(3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 162675381
(3R,4R)-1-(3,4-dimethoxy-5-methylselanylphenyl)-4-(3-hydroxy-4-methoxyphenyl)-3-methylazetidin-2-one
CID 172750266
(3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 71493452
2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 141303590
(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 127025522
(3R,4R)-4-(3-bromo-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127025552
3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 67240889
[2-methoxy-5-[(2R,3S)-4-oxo-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-yl]phenyl] dihydrogen phosphate
CID 127025535

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 175912034) is (3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc([C@@H]2[C@@H](OC(F)F)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of (3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is KUFAXPWHAIEEJH-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H21F2NO7/c1-26-13-6-5-10(7-12(13)24)16-18(30-20(21)22)19(25)23(16)11-8-14(27-2)17(29-4)15(9-11)28-3/h5-9,16,18,20,24H,1-4H3/t16-,18-/m1/s1.
What are the key properties of (3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
(3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 425.38 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 175912034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).